Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 15 6 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.60000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 0.00000000000 1.55000000000 -6.57122716800 3P 3 1 6.00 0.00000000000 1.55000000000 -4.45341719400 4S 4 0 1.60 0.00000000000 1.55000000000 -0.90989256100 3D 3 2 3.40 0.00000000000 1.70000000000 -1.22837017600 0 Version Number Cr Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBX PBC PBE Exchange-Correlation functional 14.00000000000 Z valence -174.05857749300 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 857 Number of points in mesh 4 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 6.00 4S 0 1.60 3D 2 3.40 0.00000000000E+00 1.76545037833E-06 3.56107866699E-06 5.38740071525E-06 7.24494119008E-06 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9.36685671846E-01 9.12504489664E-01 8.85396766813E-01 8.55381687477E-01 8.22500964816E-01 7.86819454379E-01 7.48425282314E-01 7.07429397268E-01 6.63964439520E-01 6.18182835067E-01 5.70254015350E-01 5.20360682609E-01 4.68694059168E-01 4.15448079800E-01 3.60812538164E-01 3.04965235757E-01 2.48063264397E-01 1.90233623639E-01 1.31563491301E-01 7.20905765677E-02 1.17941405443E-02 -4.94125776378E-02 -1.11687600440E-01 -1.75262005768E-01 -2.40436956470E-01 -3.07574470535E-01 -3.77080267235E-01 -4.49376925772E-01 -5.24865565362E-01 -6.03874375476E-01 -6.86592616315E-01 -7.72989277606E-01 -8.62716486920E-01 -9.54999115057E-01 -1.04851395804E+00 -1.14126449699E+00 -1.23046071465E+00 -1.31241788811E+00 -1.38249382086E+00 -1.43509066056E+00 -1.46375525739E+00 -1.46142073224E+00 -1.42084110262E+00 -1.33527957968E+00 -1.19951805685E+00 -1.01125813806E+00 -7.72978036035E-01 -4.93722387531E-01 -2.41049586520E-01 -5.76485501217E-02 1.09720297646E-03 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 9 Number of nonzero Dij 1 1 -5.12187102310E-01 1 2 3.84349887325E-01 2 2 8.33790515873E-02 3 3 4.63276097997E+00 3 4 -1.39301570953E+01 4 4 3.80756225452E+01 5 5 4.63054360528E+01 5 6 5.53318703251E+01 6 6 6.59537107483E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 9.50000000000E-01 2 9.50000000000E-01 3 9.50000000000E-01 4 9.50000000000E-01 5 9.50000000000E-01 1 1 0 i j (l(j)) -1.72139888543E-01 Q_int 0.00000000000E+00 -3.17996132002E-11 -1.29382024394E-10 -2.96121108126E-10 -5.35525968882E-10 -8.51245926825E-10 -1.24707568094E-09 -1.72696065585E-09 -2.29500253864E-09 -2.95546501247E-09 -3.71277969373E-09 -4.57155227997E-09 -5.53656891587E-09 -6.61280278492E-09 -7.80542093479E-09 -9.11979134432E-09 -1.05614902409E-08 -1.21363096765E-08 -1.38502653723E-08 -1.57096048397E-08 -1.77208157893E-08 -1.98906348366E-08 -2.22260565147E-08 -2.47343426058E-08 -2.74230318014E-08 -3.02999497035E-08 -3.33732191784E-08 -3.66512710748E-08 -4.01428553208E-08 -4.38570524098E-08 -4.78032852925E-08 -5.19913316861E-08 -5.64313368176E-08 -6.11338266136E-08 -6.61097213558E-08 -7.13703498147E-08 -7.69274638805E-08 -8.27932537077E-08 -8.89803633916E-08 -9.55019071944E-08 -1.02371486341E-07 -1.09603206405E-07 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